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Basic information
- Standard SMILES
COc1ccc2[nH]cc(C3CCN(C(=O)NCC4CCC(c5ccccc5)(N(C)C)CC4)CC3)c2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
RBZTVTMOMXBGRS-UHFFFAOYSA-N- Molecular formula
- C36H48N4O9
- Average molar mass
- 680.8 g/mol
- Monoisotopic mass
- 680.34212912
Names & identifiers
- Preferred name
- 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid-(4-dimethylamino-4-phenylcyclohexylmethyl)-amide citrate
- IUPAC
- N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]-4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
SCHEMBL2782100RBZTVTMOMXBGRS-UHFFFAOYSA-N4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid-(4-dimethylamino-4-phenylcyclohexylmethyl)-amide citrate
Database identifiers
- PubChem CID
- 10484697
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 935
Related reactions
1 records
Compound notes
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